N-Boc-2-azaspiro[3.3]heptan-6-one - CAS 1181816-12-5
Catalog: |
BB004064 |
Product Name: |
N-Boc-2-azaspiro[3.3]heptan-6-one |
CAS: |
1181816-12-5 |
Synonyms: |
6-oxo-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester; tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate |
IUPAC Name: | tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate |
Description: | N-Boc-2-azaspiro[3.3]heptan-6-one (CAS# 1181816-12-5) is a reagent used for the preparation of γ-butyrolactone derivative via Baeyer-Villiger monooxygenase (BVMO)-catalyzed oxidation. |
Molecular Weight: | 211.26 |
Molecular Formula: | C11H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2(C1)CC(=O)C2 |
InChI: | InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h4-7H2,1-3H3 |
InChI Key: | HQHRAGXKFOTSQE-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD15071430 |
LogP: | 1.52430 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021208963-A1 | Bcl-2 inhibitor | 20200415 |
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WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
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PMID | Publication Date | Title | Journal |
19637855 | 20090820 | Synthesis of tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate | Organic letters |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.12084340 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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